Information card for entry 4321934

Structure parameters

• Formula: C12 H28 Cl N6 Ni O6
• Calculated formula: C12 H28 Cl N8 Ni O8
• Title of publication: Tuning of Spin Density Wave Strengths in Quasi-One-Dimensional Halogen-Bridged NiIII Complexes with Strong Electron Correlations, [NiIII(chxn)2X]Y2
• Authors of publication: Masahiro Yamashita; Toshio Manabe; Kazuo Inoue; Takuya Kawashima; Hiroshi Okamoto; Hiroshi Kitagawa; Tadaoki Mitani; Koshiro Toriumi; Hiroshi Miyamae; Ryuichi Ikeda
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1894 - 1899
• a: 8.001 ± 0.005 Å
• b: 22.99 ± 0.02 Å
• c: 4.982 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 916.4 ± 1.1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for all reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for all reflections: 5.241
• Goodness-of-fit parameter for significantly intense reflections: 5.533
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: xray_tube
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No